N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C14H19N5O — CID 64517704

IUPACN-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCCCNc1ccccc1C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C14H19N5O/c1-3-8-15-12-7-5-4-6-11(12)14(20)19(2)9-13-16-10-17-18-13/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17,18)
InChIKeyONXIQEPIKNZIHD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.90
Rot. Bonds6

About N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 64517704) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID64517704
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCCCNc1ccccc1C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C14H19N5O/c1-3-8-15-12-7-5-4-6-11(12)14(20)19(2)9-13-16-10-17-18-13/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17,18)
InChIKeyONXIQEPIKNZIHD-UHFFFAOYSA-N
XLogP1.90
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64517564
2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511840
2-hydroxy-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512827
N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide
CID 55061041
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethylsulfanyl)benzamide
CID 64512037
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
CID 64518259
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 63107687
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 64512455
3-(2-chlorophenyl)-1-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64512474
5-chloro-2-hydrazinyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64519313
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 64517704) is N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is CCCNc1ccccc1C(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is ONXIQEPIKNZIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-8-15-12-7-5-4-6-11(12)14(20)19(2)9-13-16-10-17-18-13/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 64517704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).